Glycoside
...
GD032794

Name:
None

Formula:
C53H89O13N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNC(=O)CCCNc3ccnc4ccccc34)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCNC(=O)CCCNc3ccnc4ccccc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 7 FractionCSP3: 0.79
AlogP: 4.22 Num_rotatable_bonds: 16
MolWt: 1004.32 Num_heavy_atoms: 71
TPSA: 234.1 NumAromaticRings: 2

Unique Aglycone
AD20983
Formula: C45H75O10N5

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCNC(=O)CCCNc3ccnc4ccccc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.76
AlogP: 3.29 Num_rotatable_bonds: 13
MolWt: 846.12 Num_heavy_atoms: 60
TPSA: 206.41 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O